Monomers

3-Methylstyrene

Identifiers

IUPAC name
1-ethenyl-3-methylbenzene
InchI
InChI=1S/C9H10/c1-3-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
JZHGRUMIRATHIU-UHFFFAOYSA-N
SMILES
C=Cc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)C=C
Isomeric SMILES
CC1=CC(=CC=C1)C=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10
Heavy Atom Count
9
Molecular Weight
118.179
Exact Molecular Weight
118.0783
Valence Electrons
46
Radical Electrons
0
tPSA
0.0
MolLogP
2.638
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 19 19  0  0  0  0  0  0  0  0999 V2000
    2.9319   -1.0430   -0.0248 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4262    0.1272    0.2708 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9871    0.3572    0.2046 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5098    1.6331    0.5337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8320    1.9493    0.5017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7409    0.9794    0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3168   -0.2867   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0478   -0.5592   -0.1508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2992   -1.3278   -0.5937 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9907   -1.1990    0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3069   -1.8505   -0.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0928    0.9395    0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2272    2.3859    0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2059    2.9251    0.7526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8111    1.1830    0.0937 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3516   -1.5462   -0.4116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8691   -1.9430   -1.4168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6259   -1.9361    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711   -0.7883   -1.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  7  9  1  0
  8  3  1  0
  1 10  1  0
  1 11  1  0
  2 12  1  0
  4 13  1  0
  5 14  1  0
  6 15  1  0
  8 16  1  0
  9 17  1  0
  9 18  1  0
  9 19  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers